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Compound Detail

CHEMBL1091521

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O=P(O)(O)C(O)(CCCCOc1no[n+]([O-])c1-c1ccccc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1091521
Phase Preclinical
Structure Type MOL
InChI Key IOUTWBBKMSRKHB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.2
MW (Da)
0.53
ALogP
7
HBA
5
HBD
197.5
PSA (Ų)
0.21
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N2O10P2
MW 424.24
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.07

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20299227 10.1016/j.bmc.2010.02.058 Aorta 3
20299227 10.1016/j.bmc.2010.02.058 Hydroxyapatite 2
20299227 10.1016/j.bmc.2010.02.058 RAW264.7 1

Data from ChEMBL 36 via Core Engine